Ferro-ionic States and Domains Morphology in Hf$_x$Zr$_{1-x}$O$_2$ Nanoparticles
Fuente:
arXiv
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866910788879384576 |
|---|---|
| author | Eliseev, Eugene A. Kalinin, Sergei V. Morozovska, Anna N. |
| author_facet | Eliseev, Eugene A. Kalinin, Sergei V. Morozovska, Anna N. |
| contents | Unique polar properties of nanoscale hafnia-zirconia oxides (Hf$_x$Zr$_{1-x}$O$_2$) are of great interest for condensed matter physics, nanophysics and advanced applications. These properties are connected (at least partially) to the ionic-electronic and electrochemical phenomena at the hafnia surface, interfaces and/or internal grain boundaries. Here we calculated the phase diagrams, dielectric permittivity, spontaneous polar and antipolar ordering, and domain structure morphology in Hf$_x$Zr$_{1-x}$O$_2$ nanoparticles covered by ionic-electronic charge, originated from the surface electrochemical adsorption. We revealed that the ferro-ionic coupling supports the polar long-range order in the nanoscale Hf$_x$Zr$_{1-x}$O$_2$, induces and/or enlarges the stability region of the labyrinthine domains towards smaller sizes and smaller environmental dielectric constant at low concentrations of the surface ions, and causes the transition to the single-domain ferro-ionic state at high concentrations of the surface ions. We predict that the labyrinthine domain states, being multiple-degenerated, may significantly affect the emergence of the negative differential capacitance state in the nanograined/nanocrystalline Hf$_x$Zr$_{1-x}$O$_2$ films. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2410_04476 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Ferro-ionic States and Domains Morphology in Hf$_x$Zr$_{1-x}$O$_2$ Nanoparticles Eliseev, Eugene A. Kalinin, Sergei V. Morozovska, Anna N. Materials Science Unique polar properties of nanoscale hafnia-zirconia oxides (Hf$_x$Zr$_{1-x}$O$_2$) are of great interest for condensed matter physics, nanophysics and advanced applications. These properties are connected (at least partially) to the ionic-electronic and electrochemical phenomena at the hafnia surface, interfaces and/or internal grain boundaries. Here we calculated the phase diagrams, dielectric permittivity, spontaneous polar and antipolar ordering, and domain structure morphology in Hf$_x$Zr$_{1-x}$O$_2$ nanoparticles covered by ionic-electronic charge, originated from the surface electrochemical adsorption. We revealed that the ferro-ionic coupling supports the polar long-range order in the nanoscale Hf$_x$Zr$_{1-x}$O$_2$, induces and/or enlarges the stability region of the labyrinthine domains towards smaller sizes and smaller environmental dielectric constant at low concentrations of the surface ions, and causes the transition to the single-domain ferro-ionic state at high concentrations of the surface ions. We predict that the labyrinthine domain states, being multiple-degenerated, may significantly affect the emergence of the negative differential capacitance state in the nanograined/nanocrystalline Hf$_x$Zr$_{1-x}$O$_2$ films. |
| title | Ferro-ionic States and Domains Morphology in Hf$_x$Zr$_{1-x}$O$_2$ Nanoparticles |
| topic | Materials Science |
| url | https://arxiv.org/abs/2410.04476 |